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molecular structure generation

3 papers

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Co-occurring keywords · papers mentioning both

unit quaternion (1) boltzmann generator (1) rigid body dynamics (1) equivariant kernel (1) molecular structure (1) rigid body (1) structure refinement (1) equivariant sampling (1) protein docking (1) alpha fold (1)

Papers

Energy-Based Flow Matching for Generating 3D Molecular Structure ICML 2025 Rigid Body Flows for Sampling Molecular Crystal Structures ICML 2023 Learning Equivariant Energy Based Models with Equivariant Stein Variational Gradient Descent NeurIPS 2021